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116730-31-5 | 4-Pyrimidinamine, 2,6-dimethyl-5-phenyl-
CAS No: 116730-31-5 Catalog No: AG000D53 MDL No:
Product Description
Catalog Number:
AG000D53
Chemical Name:
4-Pyrimidinamine, 2,6-dimethyl-5-phenyl-
CAS Number:
116730-31-5
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
IUPAC Name:
2,6-dimethyl-5-phenylpyrimidin-4-amine
InChI:
InChI=1S/C12H13N3/c1-8-11(10-6-4-3-5-7-10)12(13)15-9(2)14-8/h3-7H,1-2H3,(H2,13,14,15)
InChI Key:
AIJPGSLELDDPDN-UHFFFAOYSA-N
SMILES:
Cc1nc(C)c(c(n1)N)c1ccccc1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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